1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide

C12H19N3O — CID 115183296

IUPAC1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C12H19N3O/c1-14-7-4-10(8-14)15(2)11(16)12(9-13)5-3-6-12/h10H,3-8H2,1-2H3
InChIKeyYTACEBXMTSUMKI-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.84
Rot. Bonds2

About 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide

1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 115183296) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
PubChem CID115183296
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C12H19N3O/c1-14-7-4-10(8-14)15(2)11(16)12(9-13)5-3-6-12/h10H,3-8H2,1-2H3
InChIKeyYTACEBXMTSUMKI-UHFFFAOYSA-N
XLogP0.84
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide (CID 115183296) is 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide is CN1CCC(N(C)C(=O)C2(C#N)CCC2)C1.
What is the InChIKey of 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is YTACEBXMTSUMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-7-4-10(8-14)15(2)11(16)12(9-13)5-3-6-12/h10H,3-8H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).